Information card for entry 4307359

Structure parameters

• Common name: (19) Ti(OPy)2(4AP)2
• Formula: C29 H29 N5 O4 Ti
• Calculated formula: C29 H29 N5 O4 Ti
• SMILES: c1(ccc(cc1)O[Ti]12([n]3ccccc3CO2)(OCc2cccc[n]12)Oc1ccc(cc1)N)N.n1ccccc1
• Title of publication: Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides
• Authors of publication: Timothy J. Boyle; Robin M. Sewell; Leigh Anna M. Ottley; Harry D. Pratt; Christopher J. Quintana; Scott D. Bunge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1825 - 1835
• a: 12.5716 ± 0.0018 Å
• b: 12.8307 ± 0.0019 Å
• c: 16.406 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2646.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No